Benchmarking the variational quantum eigensolver through simulation of the ground state energy of prebiotic molecules on high-performance computers

We use the Variational Quantum Eigensolver (VQE) as implemented in Qiskit software package to compute ground state energy of small molecules derived from water, H$_2$O, and hydrogen cyanide, HCN. The work aims benchmark algorithms for calculating electronic structure surfaces relevance prebiotic chemistry, beginning with water run them on available simulated physical quantum hardware. numerical calculations processors allow us design more efficient protocols be real hardware, well analyze their performance. Future implementations accessible processing prototypes will computers provide tests advantage heuristic algorithms.